(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide

C17H18N4O — CID 108837898

IUPAC(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C\Nc1cccc2cccnc12
InChIInChI=1S/C17H18N4O/c1-17(2,3)21-16(22)13(10-18)11-20-14-8-4-6-12-7-5-9-19-15(12)14/h4-9,11,20H,1-3H3,(H,21,22)/b13-11-
InChIKeyCXQOYWFFHBRVFI-QBFSEMIESA-N
MW294.36 g/mol
LogP2.97
Rot. Bonds3

About (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide

(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide (PubChem CID 108837898) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
PubChem CID108837898
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C\Nc1cccc2cccnc12
InChIInChI=1S/C17H18N4O/c1-17(2,3)21-16(22)13(10-18)11-20-14-8-4-6-12-7-5-9-19-15(12)14/h4-9,11,20H,1-3H3,(H,21,22)/b13-11-
InChIKeyCXQOYWFFHBRVFI-QBFSEMIESA-N
XLogP2.97
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-acetamidophenyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108818817
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108836033
(Z)-N-(3-butoxypropyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108837152
(Z)-N-tert-butyl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108837878
(Z)-N-tert-butyl-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108837747
(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108837637
(Z)-N-tert-butyl-2-cyano-3-(methylamino)prop-2-enamide
CID 108837831
(1Z)-2-oxo-N-(quinolin-8-ylamino)propanimidoyl cyanide
CID 21065185
1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108979412
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
(Z)-N-tert-butyl-2-cyano-3-(2,5-dimethoxyanilino)prop-2-enamide
CID 108837727
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide (CID 108837898) is (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide is CC(C)(C)NC(=O)/C(C#N)=C\Nc1cccc2cccnc12.
What is the InChIKey of (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
The InChIKey is CXQOYWFFHBRVFI-QBFSEMIESA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2,3)21-16(22)13(10-18)11-20-14-8-4-6-12-7-5-9-19-15(12)14/h4-9,11,20H,1-3H3,(H,21,22)/b13-11-.
What are the key properties of (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide has a molecular weight of 294.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide is sourced from PubChem (CID 108837898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).